3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one

C10H17N5O2 — CID 106253571

IUPAC3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2cn(CCO)nn2)C1=O
InChIInChI=1S/C10H17N5O2/c1-14-3-2-9(10(14)17)11-6-8-7-15(4-5-16)13-12-8/h7,9,11,16H,2-6H2,1H3
InChIKeyGGTAGLDGMFAELV-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.41
Rot. Bonds5

About 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one

3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one (PubChem CID 106253571) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
PubChem CID106253571
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2cn(CCO)nn2)C1=O
InChIInChI=1S/C10H17N5O2/c1-14-3-2-9(10(14)17)11-6-8-7-15(4-5-16)13-12-8/h7,9,11,16H,2-6H2,1H3
InChIKeyGGTAGLDGMFAELV-UHFFFAOYSA-N
XLogP-1.41
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione
CID 66269271
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]azepan-2-one
CID 66268661
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
CID 66269796
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
2-[4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]triazol-1-yl]ethanol
CID 66268448
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
CID 79501211
2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
CID 114118855
2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500
3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
CID 107851756
3-[4-[[(1,1-dioxothian-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66268350

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one (CID 106253571) is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one is CN1CCC(NCc2cn(CCO)nn2)C1=O.
What is the InChIKey of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is GGTAGLDGMFAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14-3-2-9(10(14)17)11-6-8-7-15(4-5-16)13-12-8/h7,9,11,16H,2-6H2,1H3.
What are the key properties of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one?
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 239.28 g/mol, XLogP of -1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106253571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).